2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate

C23H29NO3 — CID 20395

IUPAC2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3
InChIKeyBAQKJENAVQLANS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.19
Rot. Bonds7

About 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate

2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate (PubChem CID 20395) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate.

Molecular Properties

Compound Name2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
PubChem CID20395
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3
InChIKeyBAQKJENAVQLANS-UHFFFAOYSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 141129252
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
amino 2-phenylbutanoate
CID 21430295
2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydrate
CID 173400053
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
nonyl 2-phenylbutanoate
CID 91710335
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
hexyl (2R)-2-phenylbutanoate
CID 10729236
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate?
The IUPAC name of 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate (CID 20395) is 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate.
What is the SMILES notation for 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate?
The canonical SMILES for 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate is CCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1.
What is the InChIKey of 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate?
The InChIKey is BAQKJENAVQLANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3.
What are the key properties of 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate?
2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate has a molecular weight of 367.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate is sourced from PubChem (CID 20395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).